CID 214033

Alpha-(p-chlorophenyl)-4-(beta-isobutoxyphenethyl)-1-piperazinepropanol dihydrochloride

Structural Information

Molecular Formula
C25H35ClN2O2
SMILES
CC(C)(C)OC(CC1=CC=CC=C1)N2CCN(CC2)CCC(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C25H35ClN2O2/c1-25(2,3)30-24(19-20-7-5-4-6-8-20)28-17-15-27(16-18-28)14-13-23(29)21-9-11-22(26)12-10-21/h4-12,23-24,29H,13-19H2,1-3H3
InChIKey
CVBACMYMPTYPJZ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-[4-[1-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]piperazin-1-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.2387 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.24598 207.1
[M+Na]+ 453.22792 208.7
[M-H]- 429.23142 210.5
[M+NH4]+ 448.27252 213.4
[M+K]+ 469.20186 202.4
[M+H-H2O]+ 413.23596 196.3
[M+HCOO]- 475.23690 212.6
[M+CH3COO]- 489.25255 225.7
[M+Na-2H]- 451.21337 205.3
[M]+ 430.23815 206.2
[M]- 430.23925 206.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.